SCHEMBL4751618

SCHEMBL4751618

C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CCC4CCCC(O)(O)[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.74
HSD17B10 Q99714 3/20 0.74
TDP1 Q9NUW8 3/20 0.74
EPHA2 P29317 3/20 0.74
AKR1B10 O60218 2/20 0.74
AKR1B1 P15121 2/20 0.74
LMNA P02545 2/20 0.74
EFNA1 P20827 1/20 0.74
PSEN1 P49768 1/20 0.74
PSEN2 P49810 1/20 0.74
APH1B Q8WW43 1/20 0.74
NCSTN Q92542 1/20 0.74
APH1A Q96BI3 1/20 0.74
PSENEN Q9NZ42 1/20 0.74
MEN1 O00255 1/20 0.74
KMT2A Q03164 1/20 0.74
VDR P11473 5/20 0.66
CASP7 P55210 3/20 0.66
TP53 P04637 2/20 0.66
MAPK1 P28482 2/20 0.66

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10906860 1.00 GPBAR1 (0.74) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL381612 1.00 GPBAR1 (0.74) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL11573739 0.91 GPBAR1 (0.60) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL7146262 0.90 GPBAR1 (0.70) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL1492095 0.88 GPBAR1 (0.67) GPBAR1HSD17B10TDP1EPHA2AKR1B10
Meglumine SCHEMBL23671098 0.87 GPBAR1 (0.57) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL1618569 0.87 GPBAR1 (0.54) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL19064920 0.87 GPBAR1 (0.54) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL11340170 0.86 GPBAR1 (0.56) GPBAR1HSD17B10TDP1EPHA2AKR1B10
SCHEMBL977813 0.85 VDR (0.69) GPBAR1HSD17B10TDP1EPHA2AKR1B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3876945-A1 TREATMENT AND INHIBITION OF FIBROSIS IN NON-ALCOHOLIC FATTY LIVER DISEASE PATIENTS Galmed Research and Development Ltd. (IL) 2021-09-15 EP disclosed
WO-2019055268-A2 DRUG DELIVERY SYSTEM BARANOWITZ STEVEN (US) 2019-03-21 WO disclosed
US-20170071966-A1 PHARMACEUTICAL COMPOSITION BARANOWITZ STEVEN (US) 2017-03-16 US disclosed
WO-2015175479-A1 PHARMACEUTICAL COMPOSITION BARANOWITZ STEVEN (US) 2015-11-19 WO disclosed
WO-2008144458-A1 DISSOLUTION OF ARTERIAL CHOLESTEROL PLAQUES BY PHARMACOLOGICALLY INDUCED ELEVATION OF ENDOGENOUS BILE SALTS Z & Z MEDICAL HOLDINGS, INC. (US) 2008-11-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170071966-A1 PHARMACEUTICAL COMPOSITION HMGCR, NPC1L1, CETP GPBAR1 78/4885HSD17B10 336/4885TDP1 2160/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.